335746 <common-name>2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chlorophenyl)acetamide</common-name> <description>2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chlorophenyl)acetamide is a compound with the formula C23H25ClN4OS. It has an average molecular weight of 441.00 g/mol.</description> <cas>538337-08-5</cas> <pubchem-id>3824455</pubchem-id> <chemical-formula>C23H25ClN4OS</chemical-formula> <weight>441</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T17:59:03Z</created-at> <updated-at type="dateTime">2026-08-30T17:59:03Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C23H25ClN4OS</moldb-formula> <moldb-inchi>InChI=1S/C23H25ClN4OS/c1-5-14-28-21(16-6-8-17(9-7-16)23(2,3)4)26-27-22(28)30-15-20(29)25-19-12-10-18(24)11-13-19/h5-13H,1,14-15H2,2-4H3,(H,25,29)</moldb-inchi> <moldb-inchikey>DKNDGGJFBXFFLE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">440.1437603</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM331639</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chlorophenyl)acetamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286213</sync-id> <structure-inchikey>DKNDGGJFBXFFLE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>404000000000800000002800000000000000000100000080000000000000000000000000000004000000002080800000000000000000000000200000000000000000400000000000000000000020000000000200000000000010000000000000210080000010000000000000840000000108000000000000000000000000000040020400000000000004000180880000000000000000000000000000000000000000001000000200080000000040000000410000000000012800000000000800000000000000000000040002400010000000002000000200000000000000008800000004000040000000000400000000010000000000000000000000</structure-fingerprint> 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